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CAS 1416351-81-9 2,6-Dichloro-5-fluoropyridin-3-aMine hydrochloride molecular structure lightbox
CAS RN: 1416351-81-9

2,6-Dichloro-5-fluoropyridin-3-aMine hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1416351-81-9
  • Purity/Analytical Methods: >99.0%
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1416351-81-9 / 2,6-dichloro-5-fluoropyridin-3-amine;hydrochloride

Standard CAS: 1416351-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416351-81-9
Multi CAS
No
Molecular Formula
C5H4Cl3FN2
Molecular Weight
217.450000
Exact Mass
215.942409
SMILES
C1=C(C(=NC(=C1F)Cl)Cl)N.Cl
InChI
InChI=1S/C5H3Cl2FN2.ClH/c6-4-2(8)1-3(9)5(7)10-4;/h1H,9H2;1H
InChIKey
JFQLVKUUCAWWGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.88
TPSA
38.91

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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